11-[2-(2-methoxy-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]undecanoic acid

Systemtic Name: 11-[2-(2-methoxy-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]undecanoic acid Openeye Name: 11-[2-(4-hydroxy-2-methoxy-4-oxo-butyl)sulfanylphenoxy]undecanoic acid CAS Name: 11-[2-[(4-hydroxy-2-methoxy-4-oxobutyl)thio]phenoxy]undecanoic acid IUPAC Name: 11-[2-(4-hydroxy-2-methoxy-4-oxobutyl)sulfanylphenoxy]undecanoic acid Traditional Name: 11-[2-[(4-hydroxy-4-keto-2-methoxy-butyl)thio]phenoxy]undecanoic acid Formula: C22H34O6S MolecularWeight: 426.56676

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(=O)O)CSC1=CC=CC=C1OCCCCCCCCCCC(=O)O

Isomeric SMILES

COC(CC(=O)O)CSC1=CC=CC=C1OCCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H34O6S/c1-27-18(16-22(25)26)17-29-20-13-10-9-12-19(20)28-15-11-7-5-3-2-4-6-8-14-21(23)24/h9-10,12-13,18H,2-8,11,14-17H2,1H3,(H,23,24)(H,25,26)